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    CAS 1477-50-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1h-indole-2-carboxylic acid, 1477-50-5, 2-carboxyindole, 2-indolecarboxylic acid, Indol-2-carboxylic acid, Mfcd00005611
    Molecular Formula
    C9H7NO2
    Molecular Weight
    161.16  g/mol
    InChI Key
    HCUARRIEZVDMPT-UHFFFAOYSA-N
    indole-2-carboxylic acid is a natural product found in Strychnos cathayensis with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1H-indole-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
    2.1.3 InChI Key
    HCUARRIEZVDMPT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)C=C(N2)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1h-indole-2-carboxylic Acid

    2. 1477-50-5

    3. 2-carboxyindole

    4. 2-indolecarboxylic Acid

    5. Indol-2-carboxylic Acid

    6. Mfcd00005611

    7. 1h-indolecarboxylic Acid

    8. 2-indolylformic Acid

    9. 1h-indole-2-carboxylic

    10. 1h-indole-2-carboxylicacid

    11. Chembl278390

    12. 137497-03-1

    13. N-[4-(2-pyridinyl)-2-thiazolyl]-2-pyridinamine

    14. Nsc 16598

    15. Einecs 216-030-4

    16. Carboxyindole

    17. 2-indolecarboxylate

    18. Icb

    19. Indolecarboxylic Acid

    20. Indole Carboxylic Acid

    21. 2-carboxy-1h-indole

    22. 2-indolcarboxylic Acid

    23. Spectrum_001485

    24. 2-indol Carboxylic Acid

    25. Specplus_000676

    26. Spectrum2_000021

    27. Spectrum3_000943

    28. Spectrum4_001042

    29. Spectrum5_001735

    30. 1h-2-indolecarboxylic Acid

    31. Schembl1935

    32. 1h-indol-2-carboxylic Acid

    33. Oprea1_557882

    34. Kbiogr_001304

    35. Kbioss_001965

    36. Mls002207203

    37. Divk1c_006772

    38. Spectrum1502082

    39. Spbio_000081

    40. 1h-indole-2-carbonsäure

    41. 2-indole Carboxylic Acid

    42. Hcuarriezvdmpt-uhfffaoysa-

    43. Indole-2-carboxylic Acid, 98%

    44. Kbio1_001716

    45. Kbio2_001965

    46. Kbio2_004533

    47. Kbio2_007101

    48. Kbio3_002006

    49. Amy2735

    50. Dtxsid20163782

    51. Chebi:169990

    52. Hms1921h22

    53. Zinc145536

    54. Act06982

    55. Bcp00082

    56. Cs-m1850

    57. Hy-i0096

    58. Nsc16598

    59. Str02479

    60. Bdbm50004955

    61. Ccg-39889

    62. Nsc-16598

    63. S6228

    64. Stk001808

    65. Akos000121595

    66. Ab00454

    67. Ac-3062

    68. Cg-0515

    69. Sdccgmls-0065971.p001

    70. Ncgc00094957-01

    71. Ncgc00094957-02

    72. Smr000112260

    73. Sy003715

    74. Db-011564

    75. Bb 0242376

    76. Ft-0627213

    77. Ft-0627228

    78. Ft-0651889

    79. I0332

    80. 77i505

    81. I-2300

    82. Aq-776/40177767

    83. Sr-01000392684

    84. Sr-01000392684-1

    85. Q27461367

    86. F0451-0610

    87. 1h-indole-2-carboxylic Acid; Compound With 1h-indole-2-carboxylic Acid

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 161.16 g/mol
    Molecular Formula C9H7NO2
    XLogP32.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass161.047678466 g/mol
    Monoisotopic Mass161.047678466 g/mol
    Topological Polar Surface Area53.1 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity193
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1